0 mol 48 unq 0 iso 0 dist 7.38928 5.35252 5.03338 9.40644 8.74683 5.43494 6.39496 8.40971 8.80801 14.1606 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 9.10245 5.63748 7.43534 9.90256 5.83874 10.445 7.41574 12.9257 8.29967 16.1361 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 9.10245 5.63748 7.43534 9.90256 5.83874 10.445 3.66319 11.3977 8.5776 12.3694 numMergedOcc 0
3 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 9.9171 8.53976 5.17212 5.30674 12.1415 9.8553 11.7688 numMergedOcc 0
4 mol 159 unq 0 iso 0 dist 7.60912 9.54337 6.50839 6.86212 8.83633 9.76045 5.16179 10.2184 9.58089 10.7737 numMergedOcc 0
5 mol 159 unq 1 iso 0 dist 7.60912 9.54337 6.50839 9.9368 13.4546 14.3749 5.16179 10.2184 9.58089 13.7724 numMergedOcc 0
6 mol 183 unq 0 iso 0 dist 7.69421 8.29364 6.39127 8.97652 9.01399 5.77399 6.26917 9.59741 6.0033 9.01322 numMergedOcc 0
7 mol 183 unq 1 iso 0 dist 7.69421 8.29364 6.39127 8.97652 9.01399 5.77399 9.55477 13.4036 9.51612 5.89091 numMergedOcc 0
8 mol 183 unq 2 iso 0 dist 7.69421 8.97652 9.01399 8.29364 6.39127 5.77399 6.26917 9.59741 9.01322 6.0033 numMergedOcc 0
9 mol 183 unq 3 iso 0 dist 7.69421 8.97652 9.01399 8.29364 6.39127 5.77399 9.55477 13.4036 5.89091 9.51612 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 8.6368 13.4455 11.0459 6.555 9.58724 7.81237 14.9704 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 5.25149 10.1832 11.0459 14.0074 20.1009 9.33769 16.9505 numMergedOcc 0
12 mol 220 unq 2 iso 0 dist 7.57712 8.6368 13.4455 5.25149 10.1832 11.0459 12.2375 18.6942 6.25503 13.8075 numMergedOcc 0
13 mol 220 unq 3 iso 0 dist 7.20255 5.25149 9.96224 8.6368 8.70221 11.0459 6.555 12.5675 7.81237 14.9704 numMergedOcc 0
14 mol 220 unq 4 iso 0 dist 7.20255 8.6368 8.70221 5.25149 9.96224 11.0459 14.0074 16.8177 9.33769 16.9505 numMergedOcc 0
15 mol 220 unq 5 iso 0 dist 7.20255 8.6368 8.70221 5.25149 9.96224 11.0459 12.2375 14.7034 6.25503 13.8075 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 8.86185 8.20191 15.9311 6.54029 10.121 8.45305 8.99865 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 6.00654 8.86185 8.20191 9.01071 12.178 15.9311 13.9599 14.1024 8.39251 22.4858 numMergedOcc 0
18 mol 239 unq 2 iso 0 dist 6.00654 8.86185 8.20191 9.01071 12.178 15.9311 6.54029 10.121 8.99865 8.45305 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 6.51428 7.43391 4.69664 7.79787 13.4155 12.5222 6.33602 10.9137 9.59814 8.92083 numMergedOcc 0
20 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 7.43391 4.69664 12.5222 6.33602 10.9137 8.92083 9.59814 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 9.63694 6.57444 13.1376 7.9555 14.6225 5.77131 9.54337 11.7883 7.96955 13.4322 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 9.63694 7.9555 14.6225 6.57444 13.1376 5.77131 14.5953 22.9049 8.67354 11.0568 numMergedOcc 0
23 mol 266 unq 2 iso 0 dist 6.58277 6.57444 5.91091 7.9555 3.93133 5.77131 9.54337 13.0223 7.96955 13.4322 numMergedOcc 0
24 mol 266 unq 3 iso 0 dist 6.58277 7.9555 3.93133 6.57444 5.91091 5.77131 14.5953 8.14167 8.67354 11.0568 numMergedOcc 0
25 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 9.98886 4.68809 10.6828 4.44911 9.8362 8.79823 12.4603 numMergedOcc 0
26 mol 282 unq 1 iso 0 dist 8.41041 8.22117 9.80233 6.81887 4.68809 10.6828 9.11051 9.8362 8.79823 12.4603 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.14859 8.13485 7.11169 4.38561 11.4025 8.05825 11.0609 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.14859 8.13485 7.11169 4.38561 11.4025 8.05825 11.0609 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.14859 8.13485 7.11169 4.38561 11.4025 8.05825 11.0609 numMergedOcc 0
